JUMPsilactmt Version 1.0.0
-
Updated
Oct 15, 2024 - Python
#
ms-ms
Here are 2 public repositories matching this topic...
Transformer-based de novo structure elucidation from MS/MS spectra — spectrum encoder + SMILES decoder with retrieval-augmented re-ranking against spectral libraries. PyTorch · RDKit · matchms · Streamlit demo.
deep-learning cheminformatics transformers pytorch computational-chemistry rdkit metabolomics mass-spectrometry ms-ms structure-elucidation streamlit molecular-generation matchms retrieval-augmented-generation smiles-generation
-
Updated
Jul 7, 2026
Add this topic to your repo
To associate your repository with the ms-ms topic, visit your repo's landing page and select "manage topics."